2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl benzoate

Systemtic Name: 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl benzoate Openeye Name: 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl benzoate CAS Name: benzoic acid 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]thio]ethyl ester IUPAC Name: 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl benzoate Traditional Name: benzoic acid 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]thio]ethyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN=C(O4)SCCOC(=O)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN=C(O4)SCCOC(=O)C5=CC=CC=C5

InChI

InChI=1S/C21H24N2O3S/c24-18(17-4-2-1-3-5-17)25-6-7-27-20-23-22-19(26-20)21-11-14-8-15(12-21)10-16(9-14)13-21/h1-5,14-16H,6-13H2